4-ethoxy-2-(4-fluorophenyl)-N-(3-pyrimidin-5-ylpropyl)quinoline-7-carboxamide

C25H23FN4O2 — CID 122431573

IUPAC4-ethoxy-2-(4-fluorophenyl)-N-(3-pyrimidin-5-ylpropyl)quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCCc3cncnc3)ccc12
InChIInChI=1S/C25H23FN4O2/c1-2-32-24-13-22(18-5-8-20(26)9-6-18)30-23-12-19(7-10-21(23)24)25(31)29-11-3-4-17-14-27-16-28-15-17/h5-10,12-16H,2-4,11H2,1H3,(H,29,31)
InChIKeyVPCOIMPTIQHOPR-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.59
Rot. Bonds8

About 4-ethoxy-2-(4-fluorophenyl)-N-(3-pyrimidin-5-ylpropyl)quinoline-7-carboxamide

4-ethoxy-2-(4-fluorophenyl)-N-(3-pyrimidin-5-ylpropyl)quinoline-7-carboxamide (PubChem CID 122431573) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is 4-ethoxy-2-(4-fluorophenyl)-N-(3-pyrimidin-5-ylpropyl)quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(4-fluorophenyl)-N-(3-pyrimidin-5-ylpropyl)quinoline-7-carboxamide
PubChem CID122431573
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC Name4-ethoxy-2-(4-fluorophenyl)-N-(3-pyrimidin-5-ylpropyl)quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCCc3cncnc3)ccc12
InChIInChI=1S/C25H23FN4O2/c1-2-32-24-13-22(18-5-8-20(26)9-6-18)30-23-12-19(7-10-21(23)24)25(31)29-11-3-4-17-14-27-16-28-15-17/h5-10,12-16H,2-4,11H2,1H3,(H,29,31)
InChIKeyVPCOIMPTIQHOPR-UHFFFAOYSA-N
XLogP4.59
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(4-fluorophenyl)-N-(3-pyrimidin-5-ylpropyl)quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(4-fluorophenyl)-N-(3-pyrimidin-5-ylpropyl)quinoline-7-carboxamide (CID 122431573) is 4-ethoxy-2-(4-fluorophenyl)-N-(3-pyrimidin-5-ylpropyl)quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(4-fluorophenyl)-N-(3-pyrimidin-5-ylpropyl)quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(4-fluorophenyl)-N-(3-pyrimidin-5-ylpropyl)quinoline-7-carboxamide is CCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCCc3cncnc3)ccc12.
What is the InChIKey of 4-ethoxy-2-(4-fluorophenyl)-N-(3-pyrimidin-5-ylpropyl)quinoline-7-carboxamide?
The InChIKey is VPCOIMPTIQHOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-2-32-24-13-22(18-5-8-20(26)9-6-18)30-23-12-19(7-10-21(23)24)25(31)29-11-3-4-17-14-27-16-28-15-17/h5-10,12-16H,2-4,11H2,1H3,(H,29,31).
What are the key properties of 4-ethoxy-2-(4-fluorophenyl)-N-(3-pyrimidin-5-ylpropyl)quinoline-7-carboxamide?
4-ethoxy-2-(4-fluorophenyl)-N-(3-pyrimidin-5-ylpropyl)quinoline-7-carboxamide has a molecular weight of 430.48 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(4-fluorophenyl)-N-(3-pyrimidin-5-ylpropyl)quinoline-7-carboxamide is sourced from PubChem (CID 122431573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).